Cas no 61348-61-6 (L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-)
![L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl- structure](https://ossimg.kuujia.com/scimg/61500/61348-61-6x500.png)
61348-61-6 structure
Product Name:L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-
CAS No:61348-61-6
MF:C16H30N2O5
MW:330.419805049896
CID:482994
PubChem ID:10903641
Update Time:2025-04-19
L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-
- (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
- CTK2E1878
- 61348-61-6
- NKVPRAMPBUVZHC-SRVKXCTJSA-N
- DTXSID40447839
- Boc-NH-Ile-Val-OH
-
- Inchi： 1S/C16H30N2O5/c1-8-10(4)12(18-15(22)23-16(5,6)7)13(19)17-11(9(2)3)14(20)21/h9-12H,8H2,1-7H3,(H,17,19)(H,18,22)(H,20,21)/t10-,11-,12-/m0/s1
- InChI Key： NKVPRAMPBUVZHC-SRVKXCTJSA-N
- SMILES： O(C(N[C@H](C(N[C@H](C(=O)O)C(C)C)=O)[C@@H](C)CC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 330.2156
- Monoisotopic Mass: 330.21547206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 429
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 104.73
L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
61348-61-6 (L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-) Related Products
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